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Assay Detail

CHEMBL768123

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Binding
Binding affinity against HIV-1 aspartic proteinase was determined
4
Total Activities
4
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Confidence 8 — Homologous single protein target
Curated By Autocuration

Target

Human immunodeficiency virus type 1 protease (CHEMBL243)
Type SINGLE PROTEIN
Organism Human immunodeficiency virus 1

Publication

Multiple copy simultaneous search and construction of ligands in binding sites: application to inhibitors of HIV-1 aspartic proteinase.
Caflisch A, Miranker A, Karplus M.
J Med Chem (1993) 36 : 2142 -2167
PubMed 8340918 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 4 7.81 9.62

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL109500 1 9.62
CHEMBL301728 ACETYLPEPSTATIN 1 7.70
CHEMBL48996 1 6.11
CHEMBL2062130 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL109500 Ki = 0.24 nM 9.62
CHEMBL301728 ACETYLPEPSTATIN Ki = 20.0 nM 7.70
CHEMBL48996 Ki = 780.0 nM 6.11
CHEMBL2062130 Ki < 1.0 nM -